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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -388.4896658 | -388.7549383 | 0.2652725 | 0.0000000 | 388.7549383 | ||||||
| cm-1 | 539.0 | 441.1 | 97.9 | ||||||||
| eV | -10571.341 | 0.067 | -10571.275 | -10578.560 | 0.055 | -10578.505 | 7.218 | 0.012 | 7.231 | 0.000 | 10578.560 |